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(3S,4S,5R,6R)-4-(2-Chlorphenyl)-3-((3E,5E)-hepta-3,5-dienyl)-5-nitro-6-phenylcyclohex-1-ene-carbaldehyde
SpectraBase Compound ID 74f7z6avihw
InChI InChI=1S/C26H26ClNO3/c1-2-3-4-5-7-14-20-17-21(18-29)24(19-12-8-6-9-13-19)26(28(30)31)25(20)22-15-10-11-16-23(22)27/h2-6,8-13,15-18,20,24-26H,7,14H2,1H3/b3-2+,5-4+/t20-,24+,25-,26-/m0/s1
InChIKey SDYKLWAHZQWFIF-LZIUCBQASA-N
Mol Weight 435.95 g/mol
Molecular Formula C26H26ClNO3
Exact Mass 435.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lYY2jZVC3r
Name (3S,4S,5R,6R)-4-(2-Chlorphenyl)-3-((3E,5E)-hepta-3,5-dienyl)-5-nitro-6-phenylcyclohex-1-ene-carbaldehyde
Alternate Name(s) (1'S,2'R,3'R,6'S)-2-chloro-6'-((3E,5E)-hepta-3,5-dien-1-yl)-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26ClNO3
InChI InChI=1S/C26H26ClNO3/c1-2-3-4-5-7-14-20-17-21(18-29)24(19-12-8-6-9-13-19)26(28(30)31)25(20)22-15-10-11-16-23(22)27/h2-6,8-13,15-18,20,24-26H,7,14H2,1H3/b3-2+,5-4+/t20-,24+,25-,26-/m0/s1
InChIKey SDYKLWAHZQWFIF-LZIUCBQASA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 435.951 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1c(cccc1)Cl)[H])(CC\C=C\C=C\C)[H])C=O
SPLASH splash10-0553-2369000000-6e098e1134f054cb8b77
Source of Spectrum ASC-350-267/SM11-36b
Wiley ID 1766001